2-[2-chloranyl-5-[[(2-ethanoylquinolin-8-yl)amino]methyl]-6-oxidanyl-3-oxidanylidene-xanthen-9-yl]terephthalic acid

Systemtic Name: 2-[2-chloranyl-5-[[(2-ethanoylquinolin-8-yl)amino]methyl]-6-oxidanyl-3-oxidanylidene-xanthen-9-yl]terephthalic acid Openeye Name: 2-[5-[[(2-acetyl-8-quinolyl)amino]methyl]-2-chloro-6-hydroxy-3-oxo-xanthen-9-yl]terephthalic acid CAS Name: 2-[5-[[(2-acetyl-8-quinolinyl)amino]methyl]-2-chloro-6-hydroxy-3-oxo-9-xanthenyl]terephthalic acid IUPAC Name: 2-[5-[[(2-acetylquinolin-8-yl)amino]methyl]-2-chloro-6-hydroxy-3-oxoxanthen-9-yl]terephthalic acid Traditional Name: 2-[5-[[(2-acetyl-8-quinolyl)amino]methyl]-2-chloro-6-hydroxy-3-keto-xanthen-9-yl]terephthalic acid Formula: C33H21ClN2O8 MolecularWeight: 608.98144

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NC2=C(C=CC=C2NCC3=C(C=CC4=C3OC5=CC(=O)C(=CC5=C4C6=C(C=CC(=C6)C(=O)O)C(=O)O)Cl)O)C=C1

Isomeric SMILES

CC(=O)C1=NC2=C(C=CC=C2NCC3=C(C=CC4=C3OC5=CC(=O)C(=CC5=C4C6=C(C=CC(=C6)C(=O)O)C(=O)O)Cl)O)C=C1

InChI

InChI=1S/C33H21ClN2O8/c1-15(37)24-9-6-16-3-2-4-25(30(16)36-24)35-14-22-26(38)10-8-19-29(20-11-17(32(40)41)5-7-18(20)33(42)43)21-12-23(34)27(39)13-28(21)44-31(19)22/h2-13,35,38H,14H2,1H3,(H,40,41)(H,42,43)